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

Systemtic Name: 3-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]methyl]benzonitrile CAS Name: 3-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-ethylamino]methyl]benzonitrile IUPAC Name: 3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]benzonitrile Traditional Name: 3-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]methyl]benzonitrile Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c1-2-25(13-17-10-6-9-16(11-17)12-22)18-19(23)26(21(28)24-20(18)27)14-15-7-4-3-5-8-15/h3-11H,2,13-14,23H2,1H3,(H,24,27,28)