510733-41-2
1-SEC-BUTYL-N-(2-FURYLMETHYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
Name1-SEC-BUTYL-N-(2-FURYLMETHYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
1Identification
【Name】
1-SEC-BUTYL-N-(2-FURYLMETHYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD03510409
【English Synonyms】
【Formula】
C21 H21 N5 O3
【MolWeight】
391.429
【Inchi】
InChI=1S/C21H21N5O3/c1-3-13(2)26-18(22)15(20(27)23-12-14-7-6-10-29-14)11-16-19(26)24-17-8-4-5-9-25(17)21(16)28/h4-11,13,22H,3,12H2,1-2H3,(H,23,27)
【InChIKey】
InChIKey=AEMJXYGRVGVPFK-UHFFFAOYSA-N
【SMILES】
CCC(C)n1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCc4ccco4
【MOL File】
1-SEC-BUTYL-N-(2-FUR….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-N-(2-FURYLMETHYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE.cml