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

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-isopropylphenyl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-p-anisyl-amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-14(2)16-6-8-17(9-7-16)25-21-19(26(27)28)20(23-13-24-21)22-12-15-4-10-18(29-3)11-5-15/h4-11,13-14H,12H2,1-3H3,(H2,22,23,24,25)