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

Systemtic Name: 3-[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylpropanenitrile Openeye Name: 3-(7-isopropyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylpropanenitrile CAS Name: 3-[(3-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(3-methyl-2,4-dioxo-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylpropanenitrile Traditional Name: 3-[(7-isopropyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]propionitrile Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S/c1-5-8-21-13-11(15(22)20(4)16(21)23)14(24-9-6-7-17)19-12(18-13)10(2)3/h10H,5-6,8-9H2,1-4H3