N-[6-(aziridin-1-yl)pyridin-3-yl]-4-(3,3-dimethyl-5-methylsulfonyl-2H-indol-1-yl)pyrimidin-2-amine

Systemtic Name: N-[6-(aziridin-1-yl)pyridin-3-yl]-4-(3,3-dimethyl-5-methylsulfonyl-2H-indol-1-yl)pyrimidin-2-amine Openeye Name: N-[6-(aziridin-1-yl)-3-pyridyl]-4-(3,3-dimethyl-5-methylsulfonyl-indolin-1-yl)pyrimidin-2-amine CAS Name: N-[6-(1-aziridinyl)-3-pyridinyl]-4-(3,3-dimethyl-5-methylsulfonyl-2H-indol-1-yl)-2-pyrimidinamine IUPAC Name: N-[6-(aziridin-1-yl)pyridin-3-yl]-4-(3,3-dimethyl-5-methylsulfonyl-2H-indol-1-yl)pyrimidin-2-amine Traditional Name: (6-ethylenimino-3-pyridyl)-[4-(5-mesyl-3,3-dimethyl-indolin-1-yl)pyrimidin-2-yl]amine Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)C)C3=NC(=NC=C3)NC4=CN=C(C=C4)N5CC5)C

Isomeric SMILES

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)C)C3=NC(=NC=C3)NC4=CN=C(C=C4)N5CC5)C

InChI

InChI=1S/C22H24N6O2S/c1-22(2)14-28(18-6-5-16(12-17(18)22)31(3,29)30)20-8-9-23-21(26-20)25-15-4-7-19(24-13-15)27-10-11-27/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,25,26)