6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CN2CCCSC3=CC=CC=C32)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CN2CCCSC3=CC=CC=C32)N

InChI

InChI=1S/C18H22N4O3S/c1-2-8-22-16(19)15(17(24)20-18(22)25)13(23)11-21-9-5-10-26-14-7-4-3-6-12(14)21/h3-4,6-7H,2,5,8-11,19H2,1H3,(H,20,24,25)