5-nitro-N4,N4-bis(phenylmethyl)-N6-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amine Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=NC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=NC=CS4

InChI

InChI=1S/C21H18N6O2S/c28-27(29)18-19(25-21-22-11-12-30-21)23-15-24-20(18)26(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,22,23,24,25)