N-[6-(dimethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide

Systemtic Name: N-[6-(dimethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide Openeye Name: N-[6-(dimethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide CAS Name: N-[6-(dimethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide IUPAC Name: N-[6-(dimethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butanamide Traditional Name: N-[6-(dimethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(3-phenylpropylamino)butyramide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)C(=C(N1)N(C)C)NC(=O)CCCNCCCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=S)C(=C(N1)N(C)C)NC(=O)CCCNCCCC2=CC=CC=C2

InChI

InChI=1S/C20H29N5OS/c1-15-22-19(25(2)3)18(20(27)23-15)24-17(26)12-8-14-21-13-7-11-16-9-5-4-6-10-16/h4-6,9-10,21H,7-8,11-14H2,1-3H3,(H,24,26)(H,22,23,27)