510733-43-4
1-SEC-BUTYL-2-IMINO-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
Name1-SEC-BUTYL-2-IMINO-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
1Identification
【Name】
1-SEC-BUTYL-2-IMINO-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD03510415
【English Synonyms】
【Formula】
C22 H22 N6 O2
【MolWeight】
402.456
【Inchi】
InChI=1S/C22H22N6O2/c1-3-14(2)28-19(23)16(21(29)25-13-15-7-6-9-24-12-15)11-17-20(28)26-18-8-4-5-10-27(18)22(17)30/h4-12,14,23H,3,13H2,1-2H3,(H,25,29)
【InChIKey】
InChIKey=XMHMNTODNCVQMP-UHFFFAOYSA-N
【SMILES】
CCC(C)n1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCc4cccnc4
【MOL File】
1-SEC-BUTYL-2-IMINO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-SEC-BUTYL-2-IMINO-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE.cml