4-[4-[(3-methoxyphenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonyl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[4-[(3-methoxyphenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[4-[(3-methoxyphenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[4-[(3-methoxyphenyl)methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[4-(m-anisylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC(=CC=C3)OC)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC(=CC=C3)OC)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C22H25N5O3S/c1-15-18-20(23-12-16-5-3-6-17(11-16)30-2)24-13-25-21(18)31-19(15)22(29)27-8-4-7-26(14-28)9-10-27/h3,5-6,11,13-14H,4,7-10,12H2,1-2H3,(H,23,24,25)