[6-ethoxycarbonyl-5-methyl-4-(propan-2-ylamino)thieno[2,3-d]pyrimidin-2-yl]methyl-propan-2-yl-azanium

Systemtic Name: [6-ethoxycarbonyl-5-methyl-4-(propan-2-ylamino)thieno[2,3-d]pyrimidin-2-yl]methyl-propan-2-yl-azanium Openeye Name: [6-ethoxycarbonyl-4-(isopropylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]methyl-isopropyl-ammonium CAS Name: [6-ethoxycarbonyl-5-methyl-4-(propan-2-ylamino)-2-thieno[2,3-d]pyrimidinyl]methyl-propan-2-ylammonium IUPAC Name: [6-ethoxycarbonyl-5-methyl-4-(propan-2-ylamino)thieno[2,3-d]pyrimidin-2-yl]methyl-propan-2-ylazanium Traditional Name: [6-carbethoxy-4-(isopropylamino)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]methyl-isopropyl-ammonium Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH2+]C(C)C)NC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH2+]C(C)C)NC(C)C)C

InChI

InChI=1S/C17H26N4O2S/c1-7-23-17(22)14-11(6)13-15(19-10(4)5)20-12(8-18-9(2)3)21-16(13)24-14/h9-10,18H,7-8H2,1-6H3,(H,19,20,21)/p+1