2-azanyl-5-nitro-3-(phenylmethyl)-6-[(phenylmethyl)amino]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-nitro-3-(phenylmethyl)-6-[(phenylmethyl)amino]pyrimidin-4-one Openeye Name: 2-amino-3-benzyl-6-(benzylamino)-5-nitro-pyrimidin-4-one CAS Name: 2-amino-5-nitro-3-(phenylmethyl)-6-[(phenylmethyl)amino]-4-pyrimidinone IUPAC Name: 2-amino-3-benzyl-6-(benzylamino)-5-nitropyrimidin-4-one Traditional Name: 2-amino-3-benzyl-6-(benzylamino)-5-nitro-pyrimidin-4-one Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=O)N(C(=N2)N)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=O)N(C(=N2)N)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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