510761-83-8
2-IMINO-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
Name2-IMINO-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(1-PHENYLETHYL)-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-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD03509858
【English Synonyms】
【Formula】
C27 H30 N6 O3
【MolWeight】
486.573
【Inchi】
InChI=1S/C27H30N6O3/c1-19(20-8-3-2-4-9-20)29-26(34)21-18-22-25(30-23-10-5-6-12-32(23)27(22)35)33(24(21)28)13-7-11-31-14-16-36-17-15-31/h2-6,8-10,12,18-19,28H,7,11,13-17H2,1H3,(H,29,34)
【InChIKey】
InChIKey=ZOALHSBJALBQRP-UHFFFAOYSA-N
【SMILES】
CC(c1ccccc1)NC(=O)c2cc3c(nc4ccccn4c3=O)n(c2=N)CCCN5CCOCC5
【MOL File】
2-IMINO-1-[3-(4-MORP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-IMINO-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE.cml