4-[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylbutanenitrile Openeye Name: 4-(7-isopropyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylbutanenitrile CAS Name: 4-[(3-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(3-methyl-2,4-dioxo-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylbutanenitrile Traditional Name: 4-[(7-isopropyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]butyronitrile Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCCCC#N)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCCCC#N)C(=O)N(C1=O)C

InChI

InChI=1S/C17H23N5O2S/c1-5-9-22-14-12(16(23)21(4)17(22)24)15(25-10-7-6-8-18)20-13(19-14)11(2)3/h11H,5-7,9-10H2,1-4H3