5-nitro-N4,N6-bis[(4-propoxyphenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N6-bis[(4-propoxyphenyl)methyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4,N6-bis[(4-propoxyphenyl)methyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6-bis[(4-propoxyphenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N,6-N-bis[(4-propoxyphenyl)methyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-[(4-propoxybenzyl)amino]pyrimidin-4-yl]-(4-propoxybenzyl)amine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCCC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OCCC)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O4/c1-3-13-32-20-9-5-18(6-10-20)15-25-23-22(29(30)31)24(28-17-27-23)26-16-19-7-11-21(12-8-19)33-14-4-2/h5-12,17H,3-4,13-16H2,1-2H3,(H2,25,26,27,28)