510761-34-9
1-ALLYL-2-IMINO-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
Name1-ALLYL-2-IMINO-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
1Identification
【Name】
1-ALLYL-2-IMINO-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD03509690
【English Synonyms】
【Formula】
C23 H21 N5 O2
【MolWeight】
399.452
【Inchi】
InChI=1S/C23H21N5O2/c1-3-12-28-20(24)17(22(29)25-15(2)16-9-5-4-6-10-16)14-18-21(28)26-19-11-7-8-13-27(19)23(18)30/h3-11,13-15,24H,1,12H2,2H3,(H,25,29)
【InChIKey】
InChIKey=KOFMDVVOBPGWTF-UHFFFAOYSA-N
【SMILES】
CC(c1ccccc1)NC(=O)c2cc3c(nc4ccccn4c3=O)n(c2=N)CC=C
【MOL File】
1-ALLYL-2-IMINO-5-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ALLYL-2-IMINO-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE.cml