N4-cyclopropyl-N2-[(3-methoxy-4-propoxy-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-[(3-methoxy-4-propoxy-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[(3-methoxy-4-propoxy-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[(3-methoxy-4-propoxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[(3-methoxy-4-propoxy-benzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O4 MolecularWeight: 373.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23N5O4/c1-3-8-27-15-7-4-12(9-16(15)26-2)10-19-18-20-11-14(23(24)25)17(22-18)21-13-5-6-13/h4,7,9,11,13H,3,5-6,8,10H2,1-2H3,(H2,19,20,21,22)