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

Systemtic Name: 2-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]methyl]benzenecarbonitrile Openeye Name: 2-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]methyl]benzonitrile CAS Name: 2-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]methyl]benzonitrile IUPAC Name: 2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]benzonitrile Traditional Name: 2-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]methyl]benzonitrile Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)CC2=CC=CC=C2C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)CC2=CC=CC=C2C#N)N

InChI

InChI=1S/C18H23N5O2/c1-3-5-10-23-16(20)15(17(24)21-18(23)25)22(4-2)12-14-9-7-6-8-13(14)11-19/h6-9H,3-5,10,12,20H2,1-2H3,(H,21,24,25)