7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine; naphthalene-2-sulfonic acid

Systemtic Name: 7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine; naphthalene-2-sulfonic acid Openeye Name: 7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine; naphthalene-2-sulfonic acid CAS Name: 7-methyl-2-(1-piperazinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine; 2-naphthalenesulfonic acid IUPAC Name: 7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine; naphthalene-2-sulfonic acid Traditional Name: 7-methyl-2-piperazino-5,6-dihydropyrrolo[2,3-d]pyrimidine; naphthalene-2-sulfonic acid Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CN=C(N=C21)N3CCNCC3.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CN1CCC2=CN=C(N=C21)N3CCNCC3.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C11H17N5.C10H8O3S/c1-15-5-2-9-8-13-11(14-10(9)15)16-6-3-12-4-7-16;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h8,12H,2-7H2,1H3;1-7H,(H,11,12,13)