N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(1,3-benzothiazol-2-yl)-N-methyl-butanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(1,3-benzothiazol-2-yl)-N-methyl-butanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-methyl-butanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(1,3-benzothiazol-2-yl)-N-methylbutanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-methylbutanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-methyl-butyramide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CCCC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CCCC2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C20H25N5O3S/c1-3-4-12-25-18(21)17(19(27)23-20(25)28)24(2)16(26)11-7-10-15-22-13-8-5-6-9-14(13)29-15/h5-6,8-9H,3-4,7,10-12,21H2,1-2H3,(H,23,27,28)