azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone

Systemtic Name: azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone Openeye Name: azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone CAS Name: 1-azepanyl-[4-[(2-methoxyphenyl)methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone Traditional Name: azepan-1-yl-[5-methyl-4-(o-anisylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CC=C3OC)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CC=C3OC)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-15-18-20(23-13-16-9-5-6-10-17(16)28-2)24-14-25-21(18)29-19(15)22(27)26-11-7-3-4-8-12-26/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,23,24,25)