4-[3-(1,3-benzothiazol-2-yl)propylamino]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 4-[3-(1,3-benzothiazol-2-yl)propylamino]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 4-[3-(1,3-benzothiazol-2-yl)propylamino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 4-[3-(1,3-benzothiazol-2-yl)propylamino]-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 4-[3-(1,3-benzothiazol-2-yl)propylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)propylamino]-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbonitrile Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N5O2S/c1-21-15(11(10-18)16(23)22(2)17(21)24)19-9-5-8-14-20-12-6-3-4-7-13(12)25-14/h3-4,6-7,19H,5,8-9H2,1-2H3