5-nitro-N4,N6-bis[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N6-bis[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-diamine Openeye Name: N4,N6-bis[(4-isopropoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6-bis[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N,6-N-bis[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-diamine Traditional Name: (4-isopropoxybenzyl)-[6-[(4-isopropoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC(C)C)[N+](=O)[O-]

InChI

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