6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-7-(thiophen-3-ylmethoxy)pteridine

Systemtic Name: 6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-7-(thiophen-3-ylmethoxy)pteridine Openeye Name: 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-7-(3-thienylmethoxy)pteridine CAS Name: 6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-(3-thiophenylmethoxy)pteridine IUPAC Name: 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-7-(thiophen-3-ylmethoxy)pteridine Traditional Name: 6-chloro-2-piperazino-4-pyrrolidino-7-(3-thenyloxy)pteridine Formula: C19H22ClN7OS MolecularWeight: 431.94228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)OCC4=CSC=C4)Cl)N5CCNCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)OCC4=CSC=C4)Cl)N5CCNCC5

InChI

InChI=1S/C19H22ClN7OS/c20-15-18(28-11-13-3-10-29-12-13)23-16-14(22-15)17(26-6-1-2-7-26)25-19(24-16)27-8-4-21-5-9-27/h3,10,12,21H,1-2,4-9,11H2