4-[4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylpiperazin-2-one Openeye Name: 4-[4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one CAS Name: 4-[[4-(1-azocanyl)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[4-(azocan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one Traditional Name: 4-[4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C19H25N5O2S/c1-13-15-17(23-8-5-3-2-4-6-9-23)21-12-22-18(15)27-16(13)19(26)24-10-7-20-14(25)11-24/h12H,2-11H2,1H3,(H,20,25)