5-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-6-methyl-2-morpholin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-6-methyl-2-morpholin-4-yl-1H-pyrimidin-4-one Openeye Name: 5-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]-6-methyl-2-morpholino-1H-pyrimidin-4-one CAS Name: 5-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-6-methyl-2-(4-morpholinyl)-1H-pyrimidin-4-one IUPAC Name: 5-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-6-methyl-2-morpholin-4-yl-1H-pyrimidin-4-one Traditional Name: 5-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-keto-propyl]-6-methyl-2-morpholino-1H-pyrimidin-4-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H26N4O3S/c1-15-16(20(27)23-21(22-15)24-10-12-28-13-11-24)7-8-19(26)25-9-4-14-29-18-6-3-2-5-17(18)25/h2-3,5-6H,4,7-14H2,1H3,(H,22,23,27)