510761-79-2
2-IMINO-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
Name2-IMINO-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
1Identification
【Name】
2-IMINO-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD03509843
【English Synonyms】
【Formula】
C25 H27 N7 O3
【MolWeight】
473.534
【Inchi】
InChI=1S/C25H27N7O3/c26-22-19(24(33)28-17-18-5-3-7-27-16-18)15-20-23(29-21-6-1-2-9-31(21)25(20)34)32(22)10-4-8-30-11-13-35-14-12-30/h1-3,5-7,9,15-16,26H,4,8,10-14,17H2,(H,28,33)
【InChIKey】
InChIKey=VAAOSAARSJRKSX-UHFFFAOYSA-N
【SMILES】
c1ccn2c(c1)nc3c(c2=O)cc(c(=N)n3CCCN4CCOCC4)C(=O)NCc5cccnc5
【MOL File】
2-IMINO-1-[3-(4-MORP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-IMINO-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE.cml