2-azanyl-6-[bis(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-6-[bis(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 2-amino-6-(dibenzylamino)-5-nitro-1H-pyrimidin-4-one CAS Name: 2-amino-6-[bis(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-(dibenzylamino)-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-amino-6-(dibenzylamino)-5-nitro-1H-pyrimidin-4-one Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=O)N=C(N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=O)N=C(N3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c19-18-20-16(15(23(25)26)17(24)21-18)22(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,19,20,21,24)