N-[3-(azepan-1-yl)propyl]-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-5-methyl-3-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-5-methyl-3-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-keto-3-[2-keto-2-(2-methylpiperidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H37N5O3S MolecularWeight: 487.65798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCCCN4CCCCCC4)C

Isomeric SMILES

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NCCCN4CCCCCC4)C

InChI

InChI=1S/C25H37N5O3S/c1-18-10-5-8-15-30(18)20(31)16-29-17-27-24-21(25(29)33)19(2)22(34-24)23(32)26-11-9-14-28-12-6-3-4-7-13-28/h17-18H,3-16H2,1-2H3,(H,26,32)