[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-(3-azanylpyrrolidin-1-yl)methanone

Systemtic Name: [2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-(3-azanylpyrrolidin-1-yl)methanone Openeye Name: [2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-(3-aminopyrrolidin-1-yl)methanone CAS Name: [2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]-(3-amino-1-pyrrolidinyl)methanone IUPAC Name: [2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-(3-aminopyrrolidin-1-yl)methanone Traditional Name: [2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-(3-aminopyrrolidino)methanone Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C(=O)N3CCC(C3)N)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C(=O)N3CCC(C3)N)C4=NC(=NC=C4)N

InChI

InChI=1S/C18H19N5OS/c1-10-13-8-11(17(24)23-7-5-12(19)9-23)2-3-15(13)25-16(10)14-4-6-21-18(20)22-14/h2-4,6,8,12H,5,7,9,19H2,1H3,(H2,20,21,22)