5-[(4-ethoxy-1H-indol-6-yl)-propylsulfonyl-methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(4-ethoxy-1H-indol-6-yl)-propylsulfonyl-methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(4-ethoxy-1H-indol-6-yl)-propylsulfonyl-methyl]pyrimidine-2,4-diamine CAS Name: 5-[(4-ethoxy-1H-indol-6-yl)-propylsulfonylmethyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(4-ethoxy-1H-indol-6-yl)-propylsulfonylmethyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(4-ethoxy-1H-indol-6-yl)-propylsulfonyl-methyl]pyrimidin-4-yl]amine Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C(C1=CC2=C(C=CN2)C(=C1)OCC)C3=CN=C(N=C3N)N

Isomeric SMILES

CCCS(=O)(=O)C(C1=CC2=C(C=CN2)C(=C1)OCC)C3=CN=C(N=C3N)N

InChI

InChI=1S/C18H23N5O3S/c1-3-7-27(24,25)16(13-10-22-18(20)23-17(13)19)11-8-14-12(5-6-21-14)15(9-11)26-4-2/h5-6,8-10,16,21H,3-4,7H2,1-2H3,(H4,19,20,22,23)