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

Systemtic Name: 4-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]ethoxy]benzonitrile CAS Name: 4-[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]ethoxy]benzonitrile IUPAC Name: 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]ethoxy]benzonitrile Traditional Name: 4-[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]ethoxy]benzonitrile Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CCOC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CCOC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C18H23N5O3/c1-3-4-9-23-16(20)15(17(24)21-18(23)25)22(2)10-11-26-14-7-5-13(12-19)6-8-14/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,24,25)