3-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]methyl]benzonitrile CAS Name: 3-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-methylamino]methyl]benzonitrile IUPAC Name: 3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]benzonitrile Traditional Name: 3-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]methyl]benzonitrile Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1)C#N)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CN(CC1=CC=CC(=C1)C#N)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H19N5O2/c1-24(12-16-9-5-8-15(10-16)11-21)17-18(22)25(20(27)23-19(17)26)13-14-6-3-2-4-7-14/h2-10H,12-13,22H2,1H3,(H,23,26,27)