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

Systemtic Name: 4-[[4-azanyl-3-butyl-5-morpholin-4-yl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-amino-3-butyl-5-morpholino-2,6-dioxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[[4-amino-3-butyl-5-(4-morpholinyl)-2,6-dioxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-amino-3-butyl-2,6-diketo-5-morpholino-pyrimidin-1-yl)methyl]benzonitrile Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)N3CCOCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)N3CCOCC3)N

InChI

InChI=1S/C20H25N5O3/c1-2-3-8-24-18(22)17(23-9-11-28-12-10-23)19(26)25(20(24)27)14-16-6-4-15(13-21)5-7-16/h4-7H,2-3,8-12,14,22H2,1H3