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

Systemtic Name: 4-[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[5-methyl-4-[1-(2-thienyl)ethylamino]thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[5-methyl-4-(1-thiophen-2-ylethylamino)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[5-methyl-4-[1-(2-thienyl)ethylamino]thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC(C)C3=CC=CS3)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC(C)C3=CC=CS3)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C20H23N5O2S2/c1-13-16-18(23-14(2)15-5-3-10-28-15)21-11-22-19(16)29-17(13)20(27)25-7-4-6-24(12-26)8-9-25/h3,5,10-12,14H,4,6-9H2,1-2H3,(H,21,22,23)