5-[[8-methoxy-2,2-dimethyl-4-(3-nitrophenyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[8-methoxy-2,2-dimethyl-4-(3-nitrophenyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-methoxy-2,2-dimethyl-4-(3-nitrophenyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[8-methoxy-2,2-dimethyl-4-(3-nitrophenyl)-1-benzopyran-6-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[8-methoxy-2,2-dimethyl-4-(3-nitrophenyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-methoxy-2,2-dimethyl-4-(3-nitrophenyl)chromen-6-yl]methyl]pyrimidin-4-yl]amine Formula: C23H23N5O4 MolecularWeight: 433.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N5O4/c1-23(2)11-18(14-5-4-6-16(10-14)28(29)30)17-8-13(9-19(31-3)20(17)32-23)7-15-12-26-22(25)27-21(15)24/h4-6,8-12H,7H2,1-3H3,(H4,24,25,26,27)