N-[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(azocan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(azocan-1-yl)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-(1-azocanyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-(azocan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(azocan-1-yl)-N-[(1S)-1-carbamoyl-3-methyl-butyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)NC(CC(C)C)C(=O)N

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCCC3)C(=O)N[C@@H](CC(C)C)C(=O)N

InChI

InChI=1S/C21H31N5O2S/c1-13(2)11-15(18(22)27)25-20(28)17-14(3)16-19(23-12-24-21(16)29-17)26-9-7-5-4-6-8-10-26/h12-13,15H,4-11H2,1-3H3,(H2,22,27)(H,25,28)/t15-/m0/s1