6-oxidanylidene-1-prop-2-enyl-2-(prop-2-enylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 6-oxidanylidene-1-prop-2-enyl-2-(prop-2-enylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-allyl-2-(allylamino)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 6-oxo-1-prop-2-enyl-2-(prop-2-enylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 6-oxo-1-prop-2-enyl-2-(prop-2-enylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-allyl-2-(allylamino)-6-keto-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=C(C(=O)N1CC=C)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

C=CCNC1=NC(=C(C(=O)N1CC=C)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C21H23N5O/c1-3-11-23-21-24-19(18(15-22)20(27)26(21)12-4-2)25-13-9-16-7-5-6-8-17(16)10-14-25/h3-8H,1-2,9-14H2,(H,23,24)