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

Systemtic Name: 4-[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidin-6-yl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[5-methyl-4-[1-(2-thienyl)propylamino]thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[5-methyl-4-(1-thiophen-2-ylpropylamino)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[5-methyl-4-(1-thiophen-2-ylpropylamino)thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[5-methyl-4-[1-(2-thienyl)propylamino]thieno[2,3-d]pyrimidine-6-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)NC2=C3C(=C(SC3=NC=N2)C(=O)N4CCCN(CC4)C=O)C

Isomeric SMILES

CCC(C1=CC=CS1)NC2=C3C(=C(SC3=NC=N2)C(=O)N4CCCN(CC4)C=O)C

InChI

InChI=1S/C21H25N5O2S2/c1-3-15(16-6-4-11-29-16)24-19-17-14(2)18(30-20(17)23-12-22-19)21(28)26-8-5-7-25(13-27)9-10-26/h4,6,11-13,15H,3,5,7-10H2,1-2H3,(H,22,23,24)