4-azanyl-2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]pyrimidine-5-carbonitrile Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=C(C(=N3)N)C#N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=C(C(=N3)N)C#N)C(C)C

InChI

InChI=1S/C19H18N4O2S/c1-10(2)14-6-15-12(5-17(24)25-16(15)4-11(14)3)9-26-19-22-8-13(7-20)18(21)23-19/h4-6,8,10H,9H2,1-3H3,(H2,21,22,23)