N6-(4-butylphenyl)-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4,N4-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N,4-N-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c1-4-5-6-16-7-9-17(10-8-16)23-19-18(25(26)27)20(22-15-21-19)24(11-13-28-2)12-14-29-3/h7-10,15H,4-6,11-14H2,1-3H3,(H,21,22,23)