6-(4-methoxyphenyl)-2-[(3-methyl-2-pyrrolidin-1-yl-butyl)amino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[(3-methyl-2-pyrrolidin-1-yl-butyl)amino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[(3-methyl-2-pyrrolidin-1-yl-butyl)amino]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[3-methyl-2-(1-pyrrolidinyl)butyl]amino]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[(3-methyl-2-pyrrolidino-butyl)amino]-1H-pyrimidine-5-carbonitrile Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)OC)C#N)N3CCCC3

Isomeric SMILES

CC(C)C(CNC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)OC)C#N)N3CCCC3

InChI

InChI=1S/C21H27N5O2/c1-14(2)18(26-10-4-5-11-26)13-23-21-24-19(17(12-22)20(27)25-21)15-6-8-16(28-3)9-7-15/h6-9,14,18H,4-5,10-11,13H2,1-3H3,(H2,23,24,25,27)